6-tert-butyl-2,3-dimethylpyridine;4-tert-butyl-2-methyl-1,3-oxazole;5-tert-butyl-1-methylpyrazole;tris(5-tert-butyl-2-methylpyridine);4-tert-butyl-2-methyl-1,3-thiazole;5-tert-butyl-2-propan-2-yloxypyridine;1-tert-butylpyrazole;2-tert-butyl-1,3-thiazole;1-tert-butyltriazole;5-fluoro-2-propan-2-ylpyridine

C105H165FN16O2S2 — CID 158623262

About 6-tert-butyl-2,3-dimethylpyridine;4-tert-butyl-2-methyl-1,3-oxazole;5-tert-butyl-1-methylpyrazole;tris(5-tert-butyl-2-methylpyridine);4-tert-butyl-2-methyl-1,3-thiazole;5-tert-butyl-2-propan-2-yloxypyridine;1-tert-butylpyrazole;2-tert-butyl-1,3-thiazole;1-tert-butyltriazole;5-fluoro-2-propan-2-ylpyridine

6-tert-butyl-2,3-dimethylpyridine;4-tert-butyl-2-methyl-1,3-oxazole;5-tert-butyl-1-methylpyrazole;tris(5-tert-butyl-2-methylpyridine);4-tert-butyl-2-methyl-1,3-thiazole;5-tert-butyl-2-propan-2-yloxypyridine;1-tert-butylpyrazole;2-tert-butyl-1,3-thiazole;1-tert-butyltriazole;5-fluoro-2-propan-2-ylpyridine (PubChem CID 158623262) has the molecular formula C105H165FN16O2S2 and a molecular weight of 1766.72 g/mol. Its IUPAC name is 6-tert-butyl-2,3-dimethylpyridine;4-tert-butyl-2-methyl-1,3-oxazole;5-tert-butyl-1-methylpyrazole;tris(5-tert-butyl-2-methylpyridine);4-tert-butyl-2-methyl-1,3-thiazole;5-tert-butyl-2-propan-2-yloxypyridine;1-tert-butylpyrazole;2-tert-butyl-1,3-thiazole;1-tert-butyltriazole;5-fluoro-2-propan-2-ylpyridine.

Molecular Properties

• Compound Name: 6-tert-butyl-2,3-dimethylpyridine;4-tert-butyl-2-methyl-1,3-oxazole;5-tert-butyl-1-methylpyrazole;tris(5-tert-butyl-2-methylpyridine);4-tert-butyl-2-methyl-1,3-thiazole;5-tert-butyl-2-propan-2-yloxypyridine;1-tert-butylpyrazole;2-tert-butyl-1,3-thiazole;1-tert-butyltriazole;5-fluoro-2-propan-2-ylpyridine
• PubChem CID: 158623262
• Molecular Formula: C105H165FN16O2S2
• Molecular Weight: 1766.72 g/mol
• Exact Mass: 1765.27
• IUPAC Name: 6-tert-butyl-2,3-dimethylpyridine;4-tert-butyl-2-methyl-1,3-oxazole;5-tert-butyl-1-methylpyrazole;tris(5-tert-butyl-2-methylpyridine);4-tert-butyl-2-methyl-1,3-thiazole;5-tert-butyl-2-propan-2-yloxypyridine;1-tert-butylpyrazole;2-tert-butyl-1,3-thiazole;1-tert-butyltriazole;5-fluoro-2-propan-2-ylpyridine
• SMILES: CC(C)(C)c1nccs1.CC(C)(C)n1cccn1.CC(C)(C)n1ccnn1.CC(C)Oc1ccc(C(C)(C)C)cn1.CC(C)c1ccc(F)cn1.Cc1ccc(C(C)(C)C)cn1.Cc1ccc(C(C)(C)C)cn1.Cc1ccc(C(C)(C)C)cn1.Cc1ccc(C(C)(C)C)nc1C.Cc1nc(C(C)(C)C)co1.Cc1nc(C(C)(C)C)cs1.Cn1nccc1C(C)(C)C
• InChI: InChI=1S/C12H19NO.C11H17N.3C10H15N.C8H10FN.C8H14N2.C8H13NO.C8H13NS.C7H12N2.C7H11NS.C6H11N3/c1-9(2)14-11-7-6-10(8-13-11)12(3,4)5;1-8-6-7-10(11(3,4)5)12-9(8)2;3*1-8-5-6-9(7-11-8)10(2,3)4;1-6(2)8-4-3-7(9)5-10-8;1-8(2,3)7-5-6-9-10(7)4;2*1-6-9-7(5-10-6)8(2,3)4;1-7(2,3)9-6-4-5-8-9;1-7(2,3)6-8-4-5-9-6;1-6(2,3)9-5-4-7-8-9/h6-9H,1-5H3;6-7H,1-5H3;3*5-7H,1-4H3;3-6H,1-2H3;5-6H,1-4H3;2*5H,1-4H3;4-6H,1-3H3;2*4-5H,1-3H3
• InChIKey: HYGOGSDQIZLFCH-UHFFFAOYSA-N
• XLogP: 28.43
• TPSA: 204.73 Ų
• H-Bond Acceptors: 20
• Rotatable Bonds: 3
• Heavy Atoms: 126
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1766.72
LogP ≤ 5	28.43
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	20

Frequently Asked Questions

What is the IUPAC name of 6-tert-butyl-2,3-dimethylpyridine;4-tert-butyl-2-methyl-1,3-oxazole;5-tert-butyl-1-methylpyrazole;tris(5-tert-butyl-2-methylpyridine);4-tert-butyl-2-methyl-1,3-thiazole;5-tert-butyl-2-propan-2-yloxypyridine;1-tert-butylpyrazole;2-tert-butyl-1,3-thiazole;1-tert-butyltriazole;5-fluoro-2-propan-2-ylpyridine?

The IUPAC name of 6-tert-butyl-2,3-dimethylpyridine;4-tert-butyl-2-methyl-1,3-oxazole;5-tert-butyl-1-methylpyrazole;tris(5-tert-butyl-2-methylpyridine);4-tert-butyl-2-methyl-1,3-thiazole;5-tert-butyl-2-propan-2-yloxypyridine;1-tert-butylpyrazole;2-tert-butyl-1,3-thiazole;1-tert-butyltriazole;5-fluoro-2-propan-2-ylpyridine (CID 158623262) is 6-tert-butyl-2,3-dimethylpyridine;4-tert-butyl-2-methyl-1,3-oxazole;5-tert-butyl-1-methylpyrazole;tris(5-tert-butyl-2-methylpyridine);4-tert-butyl-2-methyl-1,3-thiazole;5-tert-butyl-2-propan-2-yloxypyridine;1-tert-butylpyrazole;2-tert-butyl-1,3-thiazole;1-tert-butyltriazole;5-fluoro-2-propan-2-ylpyridine.

What is the SMILES notation for 6-tert-butyl-2,3-dimethylpyridine;4-tert-butyl-2-methyl-1,3-oxazole;5-tert-butyl-1-methylpyrazole;tris(5-tert-butyl-2-methylpyridine);4-tert-butyl-2-methyl-1,3-thiazole;5-tert-butyl-2-propan-2-yloxypyridine;1-tert-butylpyrazole;2-tert-butyl-1,3-thiazole;1-tert-butyltriazole;5-fluoro-2-propan-2-ylpyridine?

The canonical SMILES for 6-tert-butyl-2,3-dimethylpyridine;4-tert-butyl-2-methyl-1,3-oxazole;5-tert-butyl-1-methylpyrazole;tris(5-tert-butyl-2-methylpyridine);4-tert-butyl-2-methyl-1,3-thiazole;5-tert-butyl-2-propan-2-yloxypyridine;1-tert-butylpyrazole;2-tert-butyl-1,3-thiazole;1-tert-butyltriazole;5-fluoro-2-propan-2-ylpyridine is CC(C)(C)c1nccs1.CC(C)(C)n1cccn1.CC(C)(C)n1ccnn1.CC(C)Oc1ccc(C(C)(C)C)cn1.CC(C)c1ccc(F)cn1.Cc1ccc(C(C)(C)C)cn1.Cc1ccc(C(C)(C)C)cn1.Cc1ccc(C(C)(C)C)cn1.Cc1ccc(C(C)(C)C)nc1C.Cc1nc(C(C)(C)C)co1.Cc1nc(C(C)(C)C)cs1.Cn1nccc1C(C)(C)C.

What is the InChIKey of 6-tert-butyl-2,3-dimethylpyridine;4-tert-butyl-2-methyl-1,3-oxazole;5-tert-butyl-1-methylpyrazole;tris(5-tert-butyl-2-methylpyridine);4-tert-butyl-2-methyl-1,3-thiazole;5-tert-butyl-2-propan-2-yloxypyridine;1-tert-butylpyrazole;2-tert-butyl-1,3-thiazole;1-tert-butyltriazole;5-fluoro-2-propan-2-ylpyridine?

The InChIKey is HYGOGSDQIZLFCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19NO.C11H17N.3C10H15N.C8H10FN.C8H14N2.C8H13NO.C8H13NS.C7H12N2.C7H11NS.C6H11N3/c1-9(2)14-11-7-6-10(8-13-11)12(3,4)5;1-8-6-7-10(11(3,4)5)12-9(8)2;3*1-8-5-6-9(7-11-8)10(2,3)4;1-6(2)8-4-3-7(9)5-10-8;1-8(2,3)7-5-6-9-10(7)4;2*1-6-9-7(5-10-6)8(2,3)4;1-7(2,3)9-6-4-5-8-9;1-7(2,3)6-8-4-5-9-6;1-6(2,3)9-5-4-7-8-9/h6-9H,1-5H3;6-7H,1-5H3;3*5-7H,1-4H3;3-6H,1-2H3;5-6H,1-4H3;2*5H,1-4H3;4-6H,1-3H3;2*4-5H,1-3H3.

What are the key properties of 6-tert-butyl-2,3-dimethylpyridine;4-tert-butyl-2-methyl-1,3-oxazole;5-tert-butyl-1-methylpyrazole;tris(5-tert-butyl-2-methylpyridine);4-tert-butyl-2-methyl-1,3-thiazole;5-tert-butyl-2-propan-2-yloxypyridine;1-tert-butylpyrazole;2-tert-butyl-1,3-thiazole;1-tert-butyltriazole;5-fluoro-2-propan-2-ylpyridine?

6-tert-butyl-2,3-dimethylpyridine;4-tert-butyl-2-methyl-1,3-oxazole;5-tert-butyl-1-methylpyrazole;tris(5-tert-butyl-2-methylpyridine);4-tert-butyl-2-methyl-1,3-thiazole;5-tert-butyl-2-propan-2-yloxypyridine;1-tert-butylpyrazole;2-tert-butyl-1,3-thiazole;1-tert-butyltriazole;5-fluoro-2-propan-2-ylpyridine has a molecular weight of 1766.72 g/mol, XLogP of 28.43, 3 rotatable bonds, 0 hydrogen bond donors, and 20 hydrogen bond acceptors.

Where does this data come from?

All data for 6-tert-butyl-2,3-dimethylpyridine;4-tert-butyl-2-methyl-1,3-oxazole;5-tert-butyl-1-methylpyrazole;tris(5-tert-butyl-2-methylpyridine);4-tert-butyl-2-methyl-1,3-thiazole;5-tert-butyl-2-propan-2-yloxypyridine;1-tert-butylpyrazole;2-tert-butyl-1,3-thiazole;1-tert-butyltriazole;5-fluoro-2-propan-2-ylpyridine is sourced from PubChem (CID 158623262), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).